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CAS 363135-55-1 7-Chloroquinoline-3-carbaldehyde molecular structure lightbox
CAS RN: 363135-55-1

7-Chloroquinoline-3-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS363135-55-1
  • Purity/Analytical Methods: >99.0%
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363135-55-1 / 7-chloroquinoline-3-carbaldehyde

Standard CAS: 363135-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
363135-55-1
Multi CAS
No
Molecular Formula
C10H6CLNO
Molecular Weight
191.610000
Exact Mass
191.013792
InChI
InChI=1S/C10H6ClNO/c11-9-2-1-8-3-7(6-13)5-12-10(8)4-9/h1-6H
InChIKey
GGCVKVWBSTYDRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.14
TPSA
29.96

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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